SCHEMBL7633239

SCHEMBL7633239

CCCCc1ccc(C(=O)OO[C]2CCC(C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.43
PLK1 P53350 1/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP4A11 Q02928 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CYP4F2 P78329 1/20 0.40
MGLL Q99685 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7629657 0.96 THRA (0.46) RARBTHRATHRBCYP4A11ALDH1A1
SCHEMBL7630517 0.95 THRA (0.48) RARBTHRATHRBALDH1A1
SCHEMBL7635573 0.92 PLK1 (0.41) PLK1THRBCYP4A11ALDH1A1MGLL
SCHEMBL7630708 0.89 RARB (0.43) RARBPLK1THRATHRBTRPV1
SCHEMBL7636996 0.88 RARB (0.49) RARBPLK1THRATHRBTRPV1
SCHEMBL7630455 0.88 MEN1 (0.43) PLK1HPGDALDH1A1DDB1CRBN
SCHEMBL7625785 0.88 RARB (0.42) RARBPLK1THRATHRBTRPV1
SCHEMBL7625103 0.87 RARB (0.48) RARBPLK1THRATHRBTRPV1
SCHEMBL7630924 0.87 RARB (0.48) RARBPLK1THRATHRBTRPV1
SCHEMBL7625406 0.86 MEN1 (0.41) RARBPLK1THRATHRBCYP4A11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed